N-[(6-amino-2-pyridinyl)sulfonyl]-6-(1-methylindol-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C29H27N5O4S — CID 121250568

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-(1-methylindol-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(-c3cccc4c3ccn4C)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
InChIInChI=1S/C29H27N5O4S/c1-17-15-18(2)27(19(3)16-17)38-29-22(28(35)33-39(36,37)26-10-6-9-25(30)32-26)11-12-23(31-29)20-7-5-8-24-21(20)13-14-34(24)4/h5-16H,1-4H3,(H2,30,32)(H,33,35)
InChIKeyZPSAHSFJYPFJSD-UHFFFAOYSA-N
MW541.63 g/mol
LogP5.05
Rot. Bonds6

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-(1-methylindol-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(1-methylindol-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121250568) has the molecular formula C29H27N5O4S and a molecular weight of 541.63 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(1-methylindol-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(1-methylindol-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID121250568
Molecular FormulaC29H27N5O4S
Molecular Weight541.63 g/mol
Exact Mass541.18
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(1-methylindol-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(-c3cccc4c3ccn4C)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
InChIInChI=1S/C29H27N5O4S/c1-17-15-18(2)27(19(3)16-17)38-29-22(28(35)33-39(36,37)26-10-6-9-25(30)32-26)11-12-23(31-29)20-7-5-8-24-21(20)13-14-34(24)4/h5-16H,1-4H3,(H2,30,32)(H,33,35)
InChIKeyZPSAHSFJYPFJSD-UHFFFAOYSA-N
XLogP5.05
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.63
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-6-(1-methylindol-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-chlorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121251275
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,6-dimethoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121252901
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
CID 160692651
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121252540
N-[(6-amino-2-pyridinyl)sulfonyl]-6-propan-2-yloxy-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121251198
N-[(6-amino-2-pyridinyl)sulfonyl]-6-cyclopentyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121253671
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121252612
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121252952
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-3-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121253548
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]hept-2-enyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121252118
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-ethylcyclohexen-1-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121251177
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121251666

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(1-methylindol-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(1-methylindol-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121250568) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(1-methylindol-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(1-methylindol-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(1-methylindol-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(-c3cccc4c3ccn4C)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(1-methylindol-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is ZPSAHSFJYPFJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O4S/c1-17-15-18(2)27(19(3)16-17)38-29-22(28(35)33-39(36,37)26-10-6-9-25(30)32-26)11-12-23(31-29)20-7-5-8-24-21(20)13-14-34(24)4/h5-16H,1-4H3,(H2,30,32)(H,33,35).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(1-methylindol-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(1-methylindol-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 541.63 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(1-methylindol-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121250568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).